2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone

C17H17ClO2 — CID 60625035

IUPAC2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H17ClO2/c1-11-4-5-12(2)15(8-11)17(19)10-20-14-6-7-16(18)13(3)9-14/h4-9H,10H2,1-3H3
InChIKeyAMOJHWWVJCYYAL-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone

2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 60625035) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
PubChem CID60625035
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H17ClO2/c1-11-4-5-12(2)15(8-11)17(19)10-20-14-6-7-16(18)13(3)9-14/h4-9H,10H2,1-3H3
InChIKeyAMOJHWWVJCYYAL-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 107725175
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624137
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
2-(4-chloro-3-methylphenoxy)-1-(1H-pyrrol-2-yl)ethanone
CID 5124662
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485085

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone (CID 60625035) is 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)COc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is AMOJHWWVJCYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-4-5-12(2)15(8-11)17(19)10-20-14-6-7-16(18)13(3)9-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 288.77 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 60625035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).